UCSF

ZINC22149799

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 4.17 -41.98 2 3 1 29 223.34 6
Hi High (pH 8-9.5) 2.14 2.88 -3.12 1 3 0 24 222.332 6
Mid Mid (pH 6-8) 2.14 5.43 -36.76 2 3 1 26 223.34 6
Mid Mid (pH 6-8) 2.14 6.47 -115.31 3 3 2 30 224.348 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )